SCHEMBL2823384

SCHEMBL2823384

CC(C)(Oc1ccc(Cl)cc1F)C(=NC12CC3CC(CC(C3)C1)C2)NC#N

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.47
HSD11B2 P80365 5/20 0.47
P2RX7 Q99572 6/20 0.39
SIGMAR1 Q99720 6/20 0.34
USP30 Q70CQ3 1/20 0.34
GPR6 P46095 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2826228 0.90 SIGMAR1 (0.41) HSD11B1HSD11B2P2RX7SIGMAR1
SCHEMBL2823673 0.83 HSD11B1 (0.44) HSD11B1HSD11B2P2RX7USP30GPR6
SCHEMBL2823633 0.83 P2RX7 (0.44) HSD11B1HSD11B2P2RX7
SCHEMBL2827937 0.82 HSD11B1 (0.47) HSD11B1HSD11B2P2RX7USP30
SCHEMBL2827946 0.81 HSD11B1 (0.46) HSD11B1HSD11B2USP30
SCHEMBL2823388 0.81 HSD11B1 (0.49) HSD11B1HSD11B2USP30
SCHEMBL2823380 0.81 HSD11B1 (0.49) HSD11B1HSD11B2USP30
SCHEMBL2824155 0.81 HSD11B1 (0.47) HSD11B1HSD11B2USP30GPR6
SCHEMBL2824153 0.81 HSD11B1 (0.47) HSD11B1HSD11B2USP30GPR6
SCHEMBL2824621 0.79 HSD11B1 (0.43) HSD11B1HSD11B2P2RX7SIGMAR1USP30

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed